8-methyl-2,6-diphenyl-7H-purine

C18H14N4 — CID 11254681

IUPAC8-methyl-2,6-diphenyl-7H-purine
SMILESCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C18H14N4/c1-12-19-16-15(13-8-4-2-5-9-13)21-17(22-18(16)20-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,21,22)
InChIKeyQFGFGDRSURCZBU-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.00
Rot. Bonds2

About 8-methyl-2,6-diphenyl-7H-purine

8-methyl-2,6-diphenyl-7H-purine (PubChem CID 11254681) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-methyl-2,6-diphenyl-7H-purine.

Molecular Properties

Compound Name8-methyl-2,6-diphenyl-7H-purine
PubChem CID11254681
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name8-methyl-2,6-diphenyl-7H-purine
SMILESCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C18H14N4/c1-12-19-16-15(13-8-4-2-5-9-13)21-17(22-18(16)20-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,21,22)
InChIKeyQFGFGDRSURCZBU-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diphenyl-8-(2-phenylphenyl)-7H-purine
CID 163388235
4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179
5-methyl-4-(2-methylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 123896494
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
but-2-yne;ethane;6-methyl-4-phenyl-1H-1,3,5-triazin-2-one
CID 162031267
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde
CID 14878093
5-methyl-2,4-diphenylquinazoline
CID 126746855
8-methoxy-6-phenyl-7H-purine
CID 11390499
6-phenyl-8-propan-2-yl-7H-purine
CID 58159009

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,6-diphenyl-7H-purine?
The IUPAC name of 8-methyl-2,6-diphenyl-7H-purine (CID 11254681) is 8-methyl-2,6-diphenyl-7H-purine.
What is the SMILES notation for 8-methyl-2,6-diphenyl-7H-purine?
The canonical SMILES for 8-methyl-2,6-diphenyl-7H-purine is Cc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 8-methyl-2,6-diphenyl-7H-purine?
The InChIKey is QFGFGDRSURCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-19-16-15(13-8-4-2-5-9-13)21-17(22-18(16)20-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 8-methyl-2,6-diphenyl-7H-purine?
8-methyl-2,6-diphenyl-7H-purine has a molecular weight of 286.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,6-diphenyl-7H-purine is sourced from PubChem (CID 11254681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).